%chk=000268181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268181

0 1
S 0.847886 -1.611426 0.119189
O 0.639056 -2.129752 1.448315
O 0.501447 -2.467137 -1.008378
N -0.217688 -0.238355 -0.139696
N 0.973958 0.942021 1.426657
C -1.506057 -0.528852 -0.826008
C -2.583238 -1.042221 0.143820
C -3.908401 -1.278440 -0.589546
C -0.070678 0.928934 0.647692
C -1.060035 2.066169 0.485042
C -0.647944 2.971307 -0.683554
C -4.992392 -1.792689 0.368626
C 2.461719 -1.060429 -0.113548
C -1.633332 4.133398 -0.866211
C -6.316936 -2.028724 -0.353213
C 2.976619 -0.961137 -1.412292
C 3.264417 -0.744488 0.986980
C -1.223844 5.036731 -2.026588
C 4.292447 -0.538723 -1.610812
C 4.585140 -0.323169 0.788400
C 5.095187 -0.218655 -0.507889
H -1.304070 -1.298961 -1.615800
H -1.856324 0.378050 -1.365118
H -2.726692 -0.331328 0.979377
H -2.242736 -1.984917 0.622715
H -4.250162 -0.344755 -1.075142
H -3.759884 -2.009921 -1.408970
H -1.109780 2.653610 1.425260
H -2.094284 1.692064 0.339074
H 0.373881 3.364896 -0.513782
H -0.585281 2.377003 -1.617267
H -4.654045 -2.734114 0.846288
H -5.139508 -1.071682 1.196101
H -1.694851 4.728310 0.066372
H -2.654259 3.740282 -1.041302
H -7.082696 -2.399174 0.337838
H -6.213330 -2.771075 -1.153262
H -6.701507 -1.108774 -0.807092
H 2.352566 -1.226974 -2.272231
H 2.858466 -0.821858 2.003890
H -1.190435 4.488763 -2.975455
H -0.232375 5.476746 -1.868228
H -1.931692 5.864297 -2.152565
H 1.178015 1.775516 1.966446
H 4.694744 -0.462359 -2.618820
H 5.209419 -0.076899 1.645105
H 6.122890 0.110890 -0.663719


%chk=000268181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268181

0 1
S 0.832034 -1.618245 0.246998
O 0.756060 -2.253432 1.734864
O 0.405784 -2.563727 -1.017179
N -0.337978 -0.112835 -0.021889
N 0.821227 0.938078 1.718266
C -1.583358 -0.478634 -0.721271
C -2.701051 -1.025104 0.196341
C -3.987283 -1.351345 -0.594442
C -0.162908 0.967926 0.845894
C -1.080293 2.173682 0.597156
C -0.618541 3.015008 -0.623044
C -5.108966 -1.932677 0.296925
C 2.575550 -0.984702 -0.132200
C -1.503369 4.262130 -0.849712
C -6.399833 -2.243808 -0.490556
C 2.998923 -1.070718 -1.467544
C 3.380335 -0.553860 0.931828
C -1.041382 5.103040 -2.059025
C 4.325651 -0.670943 -1.754124
C 4.706923 -0.173441 0.623409
C 5.172959 -0.224892 -0.712632
H -1.310108 -1.247728 -1.468642
H -1.930264 0.409965 -1.285209
H -2.928651 -0.290096 0.995207
H -2.331845 -1.938203 0.702543
H -4.361124 -0.434028 -1.097802
H -3.750868 -2.076697 -1.400315
H -1.060942 2.802385 1.507489
H -2.128745 1.855223 0.450568
H 0.433666 3.328260 -0.472296
H -0.628230 2.384318 -1.534293
H -4.739510 -2.856096 0.786305
H -5.334083 -1.216865 1.113740
H -1.494513 4.890175 0.064538
H -2.555524 3.943795 -0.998772
H -7.182255 -2.666343 0.166109
H -6.204665 -2.975545 -1.297187
H -6.809681 -1.329263 -0.959859
H 2.326497 -1.457424 -2.239537
H 2.969773 -0.506311 1.943310
H -1.072330 4.508332 -2.991223
H -0.002687 5.457794 -1.922158
H -1.685384 5.989702 -2.202107
H 0.907947 1.823861 2.248060
H 4.694191 -0.719414 -2.784069
H 5.370887 0.164832 1.425686
H 6.201366 0.075869 -0.941453


